4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine

C20H31NO2 — CID 3076291

IUPAC4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine
SMILESCCC1(C)CC(CCN2CCOCC2)(c2ccccc2)CCO1
InChIInChI=1S/C20H31NO2/c1-3-19(2)17-20(10-14-23-19,18-7-5-4-6-8-18)9-11-21-12-15-22-16-13-21/h4-8H,3,9-17H2,1-2H3
InChIKeyHKKWRSYCBIPVRV-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.63
Rot. Bonds5

About 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine

4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine (PubChem CID 3076291) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine
PubChem CID3076291
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine
SMILESCCC1(C)CC(CCN2CCOCC2)(c2ccccc2)CCO1
InChIInChI=1S/C20H31NO2/c1-3-19(2)17-20(10-14-23-19,18-7-5-4-6-8-18)9-11-21-12-15-22-16-13-21/h4-8H,3,9-17H2,1-2H3
InChIKeyHKKWRSYCBIPVRV-UHFFFAOYSA-N
XLogP3.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine (CID 3076291) is 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine is CCC1(C)CC(CCN2CCOCC2)(c2ccccc2)CCO1.
What is the InChIKey of 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine?
The InChIKey is HKKWRSYCBIPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-3-19(2)17-20(10-14-23-19,18-7-5-4-6-8-18)9-11-21-12-15-22-16-13-21/h4-8H,3,9-17H2,1-2H3.
What are the key properties of 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine?
4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine has a molecular weight of 317.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine is sourced from PubChem (CID 3076291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).